Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1446990 | Acta Materialia | 2012 | 10 Pages |
Abstract
The core structures of glide-dissociated screw and edge 〈110〉{11¯0} dislocations in strontium titanate are investigated by means of atomistic simulations. It is shown that for both dislocations the Sr, Ti and O sublattices follow different patterns of elastic displacements and that the partial dislocations have extended core structures. Dissociation distances in the range of experimental results are obtained, and a long-standing discrepancy between theoretical and experimental predictions of the anti-phase boundary energy is resolved. Studies of dislocations under applied load reveal marked difference in mobilities of the screw and edge dislocations that are consistent with experimental observations.
Related Topics
Physical Sciences and Engineering
Materials Science
Ceramics and Composites
Authors
P. Hirel, M. Mrovec, C. Elsässer,